SCHEMBL3679916

SCHEMBL3679916

O=c1nc(-c2ccccc2-c2nc(=O)c3ccccc3o2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 7/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 4/20 0.48
GLA P06280 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
PGAM1 P18669 1/20 0.48
MAOA P21397 1/20 0.48
GAA P10253 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
C1R P00736 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SIRT1 Q96EB6 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2882726 0.90 NPC1 (0.58) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL914105 0.88 C1R (0.60) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL29440787 0.88 AKR1C3 (0.54) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL61277 0.88 AKR1C3 (0.54) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL29440785 0.88 AKR1C3 (0.54) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL5775806 0.88 NPC1 (0.50) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL812662 0.84 NPC1 (0.53) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5842306 0.84 KDM4E (0.57) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL7869611 0.82 NPC1 (0.51) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL4029088 0.82 ELANE (0.58) NPC1RAB9AMAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048201-B1 RESIN COMPOSITION TEIJIN CHEMICALS LTD (JP) 2018-08-22 EP disclosed
US-8524824-B2 Resin composition TEIJIN CHEMICALS, LTD. (JP) 2013-09-03 US disclosed
US-20100113660-A1 RESIN COMPOSITION TEIJIN CHEMICALS, LTD. 2010-05-06 US disclosed
EP-2048201-A1 RESIN COMPOSITION Teijin Chemicals, Ltd. (JP) 2009-04-15 EP disclosed